| SpectraBase Compound ID | Ch5eW3RS9eA |
|---|---|
| InChI | InChI=1S/C16H15NO2S/c17-12-5-4-7-14-8-6-11-16(13-14)20(18,19)15-9-2-1-3-10-15/h1-3,6,8-11,13H,4-5,7H2 |
| InChIKey | DTMPGGQFLSAIRU-UHFFFAOYSA-N |
| Mol Weight | 285.36 g/mol |
| Molecular Formula | C16H15NO2S |
| Exact Mass | 285.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DfFPOxBRVKz |
|---|---|
| Name | 1-(3-Cyanopropyl)-3-(phenylsulfonyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.082349899 u |
| Formula | C16H15NO2S |
| InChI | InChI=1S/C16H15NO2S/c17-12-5-4-7-14-8-6-11-16(13-14)20(18,19)15-9-2-1-3-10-15/h1-3,6,8-11,13H,4-5,7H2 |
| InChIKey | DTMPGGQFLSAIRU-UHFFFAOYSA-N |
| SMILES | C1(S(=O)(=O)C2=CC=CC=C2)=CC(CCCC#N)=CC=C1 |